@MOLECULE (3r,4r,5r,6r,7s,8r,11s,13s,17r,18z)-4,6-dihydroxy-16-[(1r)-1-hydroxyethyl]-13-methoxy-5,17,19-trimethyl-2,15-dioxatetracyclo[9.8.0.0~1,7~.0~3,8~]nonadeca-9,18-dien-14-one 64 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.9423 -0.9741 -0.8825 O.3 1 UNL1111111111 -0.4196 2 O 2.3399 2.2714 1.4187 O.3 1 UNL1111111111 -0.5597 3 O 4.2782 -0.0746 -2.2884 O.3 1 UNL1111111111 -0.5440 4 O -2.7746 -2.5939 -1.0807 O.3 1 UNL1111111111 -0.3420 5 O -2.4651 0.0863 -0.6547 O.3 1 UNL1111111111 -0.3926 6 O -2.9204 -0.3999 1.5091 O.2 1 UNL1111111111 -0.5571 7 O -4.3851 1.8169 1.1198 O.3 1 UNL1111111111 -0.5772 8 C 2.2694 -0.1484 1.3176 C.3 1 UNL1111111111 -0.2255 9 C 1.2001 -0.4796 0.2406 C.3 1 UNL1111111111 0.2315 10 C 3.2084 -1.3639 1.0797 C.3 1 UNL1111111111 -0.1583 11 C 3.2760 -1.2781 -0.4648 C.3 1 UNL1111111111 0.0501 12 C 3.0854 1.1348 1.0684 C.3 1 UNL1111111111 0.1449 13 C 0.3266 -1.6700 0.7665 C.3 1 UNL1111111111 -0.1546 14 C 3.5871 1.2459 -0.3872 C.3 1 UNL1111111111 -0.1986 15 C 4.1724 -0.0926 -0.8841 C.3 1 UNL1111111111 0.0998 16 C 2.5154 -2.6302 1.4701 C.2 1 UNL1111111111 -0.1798 17 C 0.2964 0.6339 -0.2173 C.2 1 UNL1111111111 -0.0119 18 C 1.1959 -2.7705 1.3028 C.2 1 UNL1111111111 -0.1354 19 C -0.5999 -2.1918 -0.3423 C.3 1 UNL1111111111 -0.3006 20 C 4.6299 2.3540 -0.4975 C.3 1 UNL1111111111 -0.4386 21 C -0.4865 1.2262 0.6982 C.2 1 UNL1111111111 -0.2294 22 C 0.2494 0.9039 -1.6801 C.3 1 UNL1111111111 -0.4477 23 C -2.0776 -2.1468 0.0629 C.3 1 UNL1111111111 0.0354 24 C -1.6410 2.1407 0.4416 C.3 1 UNL1111111111 -0.1230 25 C -2.6343 1.5029 -0.5553 C.3 1 UNL1111111111 0.0577 26 C -2.5349 -0.7231 0.4078 C.2 1 UNL1111111111 0.5776 27 C -1.1838 3.5150 -0.0554 C.3 1 UNL1111111111 -0.4430 28 C -4.0987 1.8914 -0.2508 C.3 1 UNL1111111111 0.1321 29 C -4.0883 -3.0489 -0.8006 C.3 1 UNL1111111111 -0.2118 30 C -5.0758 1.0198 -1.0368 C.3 1 UNL1111111111 -0.4918 31 H 1.8387 -0.1202 2.3355 H 1 UNL1111111111 0.1716 32 H 4.1911 -1.2565 1.5695 H 1 UNL1111111111 0.1521 33 H 3.5349 -2.2165 -0.9836 H 1 UNL1111111111 0.1556 34 H 3.9334 1.1930 1.7931 H 1 UNL1111111111 0.1461 35 H -0.2867 -1.2811 1.6243 H 1 UNL1111111111 0.1639 36 H 2.7168 1.5072 -1.0399 H 1 UNL1111111111 0.1593 37 H 5.2254 -0.2394 -0.5604 H 1 UNL1111111111 0.1469 38 H 3.1443 -3.4175 1.8715 H 1 UNL1111111111 0.1465 39 H 0.6710 -3.6863 1.5646 H 1 UNL1111111111 0.1461 40 H -0.3341 -3.2303 -0.6276 H 1 UNL1111111111 0.1697 41 H -0.4535 -1.6229 -1.2868 H 1 UNL1111111111 0.1856 42 H 5.5168 2.1506 0.1116 H 1 UNL1111111111 0.1417 43 H 4.2171 3.3147 -0.1617 H 1 UNL1111111111 0.1554 44 H 4.9654 2.4726 -1.5360 H 1 UNL1111111111 0.1554 45 H 1.5608 2.3915 0.8336 H 1 UNL1111111111 0.3253 46 H -0.3502 1.0023 1.7611 H 1 UNL1111111111 0.1618 47 H 3.3848 -0.0832 -2.6948 H 1 UNL1111111111 0.3213 48 H 1.1618 0.5853 -2.2057 H 1 UNL1111111111 0.1638 49 H 0.1029 1.9693 -1.9049 H 1 UNL1111111111 0.1554 50 H -0.5823 0.3511 -2.1536 H 1 UNL1111111111 0.1791 51 H -2.2794 -2.8036 0.9427 H 1 UNL1111111111 0.1552 52 H -2.1819 2.2978 1.4203 H 1 UNL1111111111 0.1801 53 H -2.3814 1.7720 -1.6106 H 1 UNL1111111111 0.1532 54 H -0.5010 3.9793 0.6688 H 1 UNL1111111111 0.1556 55 H -0.6568 3.4619 -1.0135 H 1 UNL1111111111 0.1443 56 H -2.0339 4.1970 -0.1762 H 1 UNL1111111111 0.1488 57 H -4.2565 2.9754 -0.4719 H 1 UNL1111111111 0.1421 58 H -4.0663 -3.9422 -0.1688 H 1 UNL1111111111 0.1287 59 H -4.6971 -2.2620 -0.3446 H 1 UNL1111111111 0.1283 60 H -4.4739 -3.2965 -1.7986 H 1 UNL1111111111 0.1522 61 H -6.1101 1.2878 -0.7845 H 1 UNL1111111111 0.1632 62 H -4.9457 1.1313 -2.1173 H 1 UNL1111111111 0.1510 63 H -4.9520 -0.0420 -0.7963 H 1 UNL1111111111 0.1542 64 H -4.0034 0.9885 1.5032 H 1 UNL1111111111 0.3533 @BOND 1 1 9 1 2 1 11 1 3 2 12 1 4 2 45 1 5 3 15 1 6 3 47 1 7 4 23 1 8 4 29 1 9 5 25 1 10 5 26 1 11 6 26 2 12 7 28 1 13 7 64 1 14 8 9 1 15 8 10 1 16 8 12 1 17 8 31 1 18 9 13 1 19 9 17 1 20 10 11 1 21 10 16 1 22 10 32 1 23 11 15 1 24 11 33 1 25 12 14 1 26 12 34 1 27 13 18 1 28 13 19 1 29 13 35 1 30 14 15 1 31 14 20 1 32 14 36 1 33 15 37 1 34 16 18 2 35 16 38 1 36 17 21 2 37 17 22 1 38 18 39 1 39 19 23 1 40 19 40 1 41 19 41 1 42 20 42 1 43 20 43 1 44 20 44 1 45 21 24 1 46 21 46 1 47 22 48 1 48 22 49 1 49 22 50 1 50 23 26 1 51 23 51 1 52 24 25 1 53 24 27 1 54 24 52 1 55 25 28 1 56 25 53 1 57 27 54 1 58 27 55 1 59 27 56 1 60 28 30 1 61 28 57 1 62 29 58 1 63 29 59 1 64 29 60 1 65 30 61 1 66 30 62 1 67 30 63 1